SCHEMBL13970811

SCHEMBL13970811

CCNCc1c(Cl)cccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.55
▸ POLB P06746 1/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ HTT P42858 2/20 0.46
▸ TAAR1 Q96RJ0 2/20 0.43
▸ GLA P06280 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ OPRK1 P41145 1/20 0.42
▸ AKR1B1 P15121 1/20 0.40
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ HTR1D P28221 1/20 0.39
▸ HTR1B P28222 1/20 0.39
▸ HTR2A P28223 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2221552 0.88 MEN1 (0.67) KDM4EPOLBSMN1; SMN2KMT2AMEN1
Ammonia Solution, Strong SCHEMBL8149832 0.87 MEN1 (0.65) KDM4EPOLBSMN1; SMN2KMT2AMEN1
SCHEMBL26691214 0.80 MEN1 (0.70) KDM4EPOLBSMN1; SMN2KMT2AMEN1
SCHEMBL27580254 0.79 CYP1A2 (0.53) KDM4EPOLBSMN1; SMN2HTTTAAR1
SCHEMBL28696674 0.77 KDM4E (0.47) KDM4EPOLBSMN1; SMN2KMT2AMEN1
SCHEMBL2471147 0.77 CHRM2 (0.62) KDM4EKMT2AMEN1HTTTAAR1
SCHEMBL28422762 0.76 SLC6A2 (0.39) KDM4EPOLBCYP1A2CYP3A4CYP2C9
SCHEMBL5391085 0.76 HIF1A (0.43) KDM4ECYP2D6
SCHEMBL11550107 0.76 KDM4E (0.46) KDM4EPOLBSMN1; SMN2KMT2AMEN1
Ammonia Solution, Strong SCHEMBL16269082 0.76 CHRM2 (0.60) KDM4EKMT2AMEN1HTTTAAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230271937-A1 COMPOUNDS ACTIVE TOWARDS NUCLEAR RECEPTORS NUEVOLUTION A/S (DK) 2023-08-31 — — US disclosed
US-20230271937-A1 COMPOUNDS ACTIVE TOWARDS NUCLEAR RECEPTORS NUEVOLUTION A/S (DK) 2023-08-31 — — US disclosed
US-11685727-B2 Compounds active towards nuclear receptors NUEVOLUTION A/S (DK) 2023-06-27 — — US disclosed
US-11685727-B2 Compounds active towards nuclear receptors NUEVOLUTION A/S (DK) 2023-06-27 — — US disclosed
US-11685727-B2 Compounds active towards nuclear receptors NUEVOLUTION A/S (DK) 2023-06-27 — — US disclosed
US-20210188807-A1 COMPOUNDS ACTIVE TOWARDS NUCLEAR RECEPTORS ALMIRALL, S.A. (ES) 2021-06-24 — — US disclosed
US-7482359-B2 Androgen receptor modulators MERCK & CO., INC. (US) 2009-01-27 — — US disclosed
US-20090011977-A1 Novel Lipopeptides as Antibacterial Agents HILL JASON 2009-01-08 — — US disclosed
US-20080287347-A1 Novel Lipopeptides as Antibacterial Agents CUBIST PHARMACEUTICALS, INC. 2008-11-20 — — US disclosed
US-7408025-B2 Lipopeptides as antibacterial agents CUBIST PHARMACEUTICALS, INC. (US) 2008-08-05 — — US disclosed
US-20070269405-A1 Androgen Receptor Modulators MERCK SHARP & DOHME CORP. 2007-11-22 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11685727-B2 Compounds active towards nuclear receptors NCOA1, NR1H2, NCOA3 KDM4E 3300/4885POLB 941/4885SMN1; SMN2 4320/4885
US-20070269405-A1 Androgen Receptor Modulators AR, SHBG, FSHR KDM4E 2285/4885POLB 1490/4885SMN1; SMN2 1725/4885
US-20080287347-A1 Novel Lipopeptides as Antibacterial Agents CLPTM1, NGLY1, VIP KDM4E 4432/4885POLB 1881/4885SMN1; SMN2 4753/4885
US-20230271937-A1 COMPOUNDS ACTIVE TOWARDS NUCLEAR RECEPTORS NCOA1, NR1H2, NCOA3 KDM4E 3300/4885POLB 941/4885SMN1; SMN2 4320/4885
US-20090011977-A1 Novel Lipopeptides as Antibacterial Agents CLPTM1, NGLY1, VIP KDM4E 4432/4885POLB 1881/4885SMN1; SMN2 4753/4885
US-20210188807-A1 COMPOUNDS ACTIVE TOWARDS NUCLEAR RECEPTORS NCOA1, NR1H2, NCOA3 KDM4E 3300/4885POLB 941/4885SMN1; SMN2 4320/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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